5,15-Diacetyl-3-benzoyllathyrol - ≥98% , CAS No.218916-52-0

CAS: 218916-52-0 Cat. No.: L354309 Molecular Weight: 522.63 PubChem CID: 10577938

GRADE & PURITY ≥98%

Synonyms

AC-34587 | s9279 | CHEBI:136008 | Diacetyl benzoyl lathyrol | DIACETYL BENZOYL LATHYROL [INCI] | NCGC00385054-01 | HY-N0562 | DTXCID8098784 | GONGJINHYANG SEOL WHITENING JINAEK PROGRAM | MFCD09752801 | 8986760I2S | Euphorbia factor L3 | 5,15-Diacetyl-3-be

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

product description：

Euphorbia factor L3 (5,15-Diacetyl-3-benzoyllathyrol), belonging to the lathyrane diterpenoids isolated from Caper Euphorbia Seed, shows potent cytotoxicity and induces apoptosis via the mitochondrial pathway in A549 cells.

Specifications

Synonyms

AC-34587 | s9279 | CHEBI:136008 | Diacetyl benzoyl lathyrol | DIACETYL BENZOYL LATHYROL [INCI] | NCGC00385054-01 | HY-N0562 | DTXCID8098784 | GONGJINHYANG SEOL WHITENING JINAEK PROGRAM | MFCD09752801 | 8986760I2S | Euphorbia factor L3 | 5, 15-Diacetyl-3-be

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504765540
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765540
• Canonical Smiles: CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C(=C)CCC4C(C4(C)C)C=C(C2=O)C)OC(=O)C)OC(=O)C
• IUPAC Name: [(1R,3E,5R,7S,11R,12R,13S,14S)-1,11-diacetyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-13-tricyclo[10.3.0.05,7]pentadec-3-enyl] benzoate
• InChIKey: JPYYWXPAHJBKJX-VWSFRBHVSA-N
• INCHI: 1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26-,27-,31+/m0/s1
• Isomeric SMILES: C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@H](C(=C)CC[C@H]4[C@H](C4(C)C)/C=C(/C2=O)\C)OC(=O)C)OC(=O)C
• PubChem CID: 10577938
• Molecular Weight: 522.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Diterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpenoids
• Alternative Parents: Benzoic acid esters Tricarboxylic acids and derivatives Benzoyl derivatives Alpha-acyloxy ketones Ketones Carboxylic acid esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Diterpenoid - Lathyrane diterpenoid - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Alpha-acyloxy ketone - Monocyclic benzene moiety - Benzenoid - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

RAW264.7 (28094 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

4T1 (1737 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 522.600 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 522.262 Da
• Monoisotopic Mass: 522.262 Da
• Topological Polar Surface Area: 96.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 1030.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1